AG003DLH

1939-36-2 | 2,2',2'',2'''-(Propane-1,3-diylbis(azanetriyl))tetraacetic acid

AG003DLH

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CAS Number	1939-36-2
Catalog Number	AG003DLH(AGN-PC-0JLSKB)
Chemical Name	2,2',2'',2'''-(Propane-1,3-diylbis(azanetriyl))tetraacetic acid
IUPAC Name	2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid
InChI	InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChI Key	DMQQXDPCRUGSQB-UHFFFAOYSA-N
MDL Number	MFCD00210039
Molecular Formula	C11H18N2O8
Molecular Weight	306.2692
NSC Number	18484
SMILES	O=C(O)CN(CC(O)=O)CCCN(CC(O)=O)CC(O)=O
UNII	3F6OA94EER
Synonyms	1939-36-2, 2,2',2'',2'''-(Propane-1,3-diylbis(azanetriyl))tetraacetic acid, TRIMETHYLENEDIAMINETETRAACETIC ACID, 1,3-Propylenediaminetertaacetic acid, UNII-3F6OA94EER, NSC 18484, 3F6OA94EER, 1,3-Propanediamine-N,N,N',N'-tetraacetic Acid, 2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid, Glycine, N,N'-1,3-propanediylbis(N-(carboxymethyl)-, Glycine, N,N'-1,3-propanediylbis[N-(carboxymethyl)-, Acetic acid, (trimethylenedinitrilo)tetra-, 1,3-PROPYLENEDIAMINETETRAACETIC ACID, Trimethylenediamine-N,N,N',N'-tetraacetic acid, 400-400-9[elincs], 1,3-PDTA, AC1Q5WJM, DSSTox_CID_9225, EC 400-400-9, DSSTox_GSID_29225, SCHEMBL133510, 1,3-propanediaminetetraacetate, AC1L2Z61, CHEMBL1863868, DTXSID9029225, CTK4I7973, N,N'-propylene-1,3-diylbis(N-(hydroxycarbonylmethyl)glycine), NSC18484, trimethylenedinitrilotetraacetic acid, ZINC1769289, Tox21_303722, MFCD00210039, NSC-18484, 1,3-Propylenediamine tertaacetic acid, AKOS015892923, ACM1939362, NCGC00164260-01, NCGC00164260-02, NCGC00357034-01, AJ-80557, AK114726, AN-22225, K878, LS-72864, CAS-1939-36-2, AX8155484, FT-0606746, P1605, ST24027208, 1,3-Diaminopropane-N,N,N',N'-tetraacetic acid, 1,3-diaminopropane-N,N,N',N'-tetra-acetic acid, 1,3-Propylenediamine-N,N,N',N'-tetraacetic acid, A813679, C-36490, I04-0763, 1,3-Diaminopropane-N,N,N,N-tetraacetic acid >=99.0% (KT), 2,2',2'',2'''-(propane-1,3-diyldinitrilo)tetraacetic acid, 1,3-Diaminopropane-N,N,N',N'-tetraacetic acid, >=99.0% (KT), 2,2'',2'''',2''''''-(Propane-1,3-Diylbis(Azanetriyl))Tetraacetic Acid, n,n inverted exclamation mark -1,3-propanediylbis[n-(carboxymethyl)-glycin, 2-[3-[bis(2-hydroxy-2-oxoethyl)amino]propyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid, 1,3-Diaminopropane-N,N,N inverted exclamation marka,N inverted exclamation marka-tetraacetic acid, Trimethylenediamine-N,N,N inverted exclamation marka,N inverted exclamation marka-tetraacetic acid, C11H18N2O8, CID80296, AR-1G0259, C11-H18-N2-O8, acetic acid, (trimethylenedinitrilo)tetra, Glicina, n,n'-1,3-propanodiilbis[n-(carboximetil)-, N,N'-propylene-1,3-diylbis[N-(hydroxycarbonylmethyl)glycine], 4408-81-5, 4760-53-6,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.106g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	306.271g/mol
Monoisotopic Mass	306.106g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	156A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318-H361
Packing Group	Ⅲ
Precautionary statements	P201-P280-P301+P312+P330-P305+P351+P338+P310-P308+P313
UN Code	UN 1759

Certificate of Analysis

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